| Properties | Image |
|---|
| MNX_ID | MNXM1054306 |
 |
| reference | slm:000746706 |
| formula | C63H107N3O15P2 |
| global charge | -2 |
| mol weight | 1208.503 |
| InChIKey | ZNAOUYOORDVNSS-DECXDIGWSA-L |
| InChI | InChI=1S/C63H109N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-58(67)76-52-55(79-59(68)49-47-45-43-41-39-36-18-16-14-12-10-8-6-4-2)53-77-82(72,73)81-83(74,75)78-54-56-60(69)61(70)62(80-56)66-51-50-57(64)65-63(66)71/h11,13,17,19,21-22,24-25,27-28,50-51,55-56,60-62,69-70H,3-10,12,14-16,18,20,23,26,29-49,52-54H2,1-2H3,(H,72,73)(H,74,75)(H2,64,65,71)/p-2/b13-11-,19-17-,22-21-,25-24-,28-27-/t55-,56-,60-,61-,62-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H109N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-58(67)76-52-55(79-59(68)49-47-45-43-41-39-36-18-16-14-12-10-8-6-4-2)53-77-82(72,73)81-83(74,75)78-54-56-60(69)61(70)62(80-56)66-51-50-57(64)65-63(66)71/h11,13,17,19,21-22,24-25,27-28,50-51,55-56,60-62,69-70H,3-10,12,14-16,18,20,23,26,29-49,52-54H2,1-2H3,(H,72,73)(H,74,75)(H2,64,65,71)/b13-11-,19-17-,22-21-,25-24-,28-27-/t55-,56-,60-,61-,62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:58](=[O:67])[O:76][CH2:52][C@H:55]([CH2:53][O:77][P:82]([OH:72])(=[O:73])[O:81][P:83]([OH:74])(=[O:75])[O:78][CH2:54][C@@H:56]1[C@@H:60]([OH:69])[C@@H:61]([OH:70])[C@H:62]([N:66]2[CH:51]=[CH:50][C:57](=[NH:64])[N:65]=[C:63]2[OH:71])[O:80]1)[O:79][C:59]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:36][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:68] |
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